SCHEMBL9717137

SCHEMBL9717137

O=[N+]([O-])c1ccc(N(OCCO)OCCO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
CRHBP P24387 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
CRHR2 Q13324 1/20 0.44
TLR9 Q9NR96 1/20 0.44
GAA P10253 4/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 3/20 0.41
CES1 P23141 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
PHLPP2 Q6ZVD8 1/20 0.40
IDO1 P14902 1/20 0.40
AKR1C3 P42330 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1154829 0.83 GAA (0.48) TSHRALDH1A1L3MBTL1MEN1CRHBP
SCHEMBL28119711 0.79 ALDH1A1 (0.52) TSHRALDH1A1L3MBTL1MEN1CRHBP
SCHEMBL8216762 0.78 MAPT (0.45) ALDH1A1L3MBTL1MEN1KMT2AGAA
Ethylene Glycol SCHEMBL28236042 0.74 TSHR (0.71) TSHRALDH1A1MEN1KMT2AGAA
SCHEMBL28628354 0.74 LMNA (0.41) TSHRALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3675306 0.74 CA2 (0.38) ALDH1A1L3MBTL1MEN1KMT2AGAA
SCHEMBL56460 0.73 MAPT (0.58) TSHRALDH1A1CRHBPCRHR2GAA
SCHEMBL168393 0.73 ALDH1A1 (0.54) TSHRALDH1A1L3MBTL1MEN1CRHBP
SCHEMBL20509042 0.72 ALDH1A1 (0.48) TSHRALDH1A1KMT2AGAAMAPT
SCHEMBL7821980 0.72 ALDH1A1 (0.52) TSHRALDH1A1L3MBTL1MEN1CRHBP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120040374-B Near infrared light activated nitrogen mustard pharmaceutical compound and preparation method and application thereof CENTRAL SOUTH UNIVERSITY (CN) 2026-05-26 CN claimed
CN-120040374-A Near infrared light activated nitrogen mustard pharmaceutical compound and preparation method and application thereof 中南大学 2025-05-27 CN claimed
CN-109336797-B 1, 3-position symmetrical squaraine probe based on silver ion recognition and preparation method and application thereof 常州大学 2020-10-09 CN claimed
CN-109111384-B 1, 2-symmetric squaraine probe based on mercury ion recognition and preparation method and application thereof 常州大学 2020-10-09 CN claimed
CN-108191738-B Squarylium cyanine probe based on silver ion recognition and preparation method and application thereof 常州大学 2020-06-30 CN claimed
CN-120040374-B Near infrared light activated nitrogen mustard pharmaceutical compound and preparation method and application thereof CENTRAL SOUTH UNIVERSITY (CN) 2026-05-26 CN disclosed
CN-120040374-A Near infrared light activated nitrogen mustard pharmaceutical compound and preparation method and application thereof 中南大学 2025-05-27 CN disclosed
CN-109336797-B 1, 3-position symmetrical squaraine probe based on silver ion recognition and preparation method and application thereof 常州大学 2020-10-09 CN disclosed
CN-109111384-B 1, 2-symmetric squaraine probe based on mercury ion recognition and preparation method and application thereof 常州大学 2020-10-09 CN disclosed
CN-109336797-B 1, 3-position symmetrical squaraine probe based on silver ion recognition and preparation method and application thereof 常州大学 2020-10-09 CN disclosed
CN-109111384-B 1, 2-symmetric squaraine probe based on mercury ion recognition and preparation method and application thereof 常州大学 2020-10-09 CN disclosed
CN-110305036-B Hydrogen peroxide-responsive nitrogen mustard antitumor prodrug and preparation method thereof 江南大学 2020-09-04 CN disclosed
CN-108191738-B Squarylium cyanine probe based on silver ion recognition and preparation method and application thereof 常州大学 2020-06-30 CN disclosed
US-5078749-A Hair dyes, alkalizing agent for improved penetration of keratin fibers CLAIROL, INC. (US) 1992-01-07 US disclosed
US-5000755-A Nitroso compounds as direct dyes CLAIROL INCORPORATED (US) 1991-03-19 US disclosed